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Phenyl 1-(4-methoxyphenyl)-1H-indole-3-sulfonate
SpectraBase Compound ID FstDAS64nkU
InChI InChI=1S/C21H17NO4S/c1-25-17-13-11-16(12-14-17)22-15-21(19-9-5-6-10-20(19)22)27(23,24)26-18-7-3-2-4-8-18/h2-15H,1H3
InChIKey AGURNRBNFLFCPZ-UHFFFAOYSA-N
Mol Weight 379.43 g/mol
Molecular Formula C21H17NO4S
Exact Mass 379.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HFQoXGBJdd
Name Phenyl 1-(4-methoxyphenyl)-1H-indole-3-sulfonate
Appearance White solid
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Exact Mass 379.087829201 u
Formula C21H17NO4S
InChI InChI=1S/C21H17NO4S/c1-25-17-13-11-16(12-14-17)22-15-21(19-9-5-6-10-20(19)22)27(23,24)26-18-7-3-2-4-8-18/h2-15H,1H3
InChIKey AGURNRBNFLFCPZ-UHFFFAOYSA-N
Instrument Name Agilent 5975N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612565
Molecular Weight 379.430 g/mol
Quality 1
Reported Formula C21H17NO4S
SMILES C1(S(OC2=CC=CC=C2)(=O)=O)=CN(C2=C1C=CC=C2)C1=CC=C(C=C1)OC
SPLASH splash10-000i-0191000000-9db0135285122dcb681c
Source of Spectrum ACI-56-SM32-4c (DOI: 10.1002/anie.201612565)
Wiley ID 1895552